Materials Data on CaBiAu4 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1718410· OSTI ID:1718410

The Materials Project

CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1718410
• Report Number(s): mp-1213974
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaBiAu4
Au-Bi-Ca